DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-21 09:40:59 UTC
Update Date	2025-03-24 20:26:00 UTC
HMDB ID	HMDB0013244
Metabolite Identification
DeepMet ID	DMID01445215
Name	Lipid A
Frequency	0.9
Structure
Chemical Formula	C₉₄H₁₇₈N₂O₂₅P₂
Molecular Mass	1797.2194
SMILES	CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OCC2OC(OP(=O)(O)O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C2O)OC(CO)C1OP(=O)(O)O
InChI Key	GZQKNULLWNGMCW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	acylaminosugars
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters fatty acid esters hexose phosphates hydrocarbon derivatives monoalkyl phosphates monosaccharides n-acyl amines n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols saccharolipids secondary alcohols secondary carboxylic acid amides tetracarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group fatty amide monosaccharide carboxylic acid derivative n-acyl-alpha-hexosamine beta-hydroxy acid organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound alcohol tetracarboxylic acid or derivatives hydroxy acid carboxamide group n-acyl-amine acylaminosugar oxacycle secondary carboxylic acid amide fatty acid ester phosphoric acid ester monoalkyl phosphate carboxylic acid ester hexose phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound saccharolipid organic phosphoric acid derivative alkyl phosphate

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